N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide

C16H23N3O — CID 91773288

IUPACN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCC12CCCN1CCC2
InChIInChI=1S/C16H23N3O/c1-13-5-2-9-17-14(13)15(20)18-10-8-16-6-3-11-19(16)12-4-7-16/h2,5,9H,3-4,6-8,10-12H2,1H3,(H,18,20)
InChIKeyUPXRYNHLTWGVAC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide

N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide (PubChem CID 91773288) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide
PubChem CID91773288
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCC12CCCN1CCC2
InChIInChI=1S/C16H23N3O/c1-13-5-2-9-17-14(13)15(20)18-10-8-16-6-3-11-19(16)12-4-7-16/h2,5,9H,3-4,6-8,10-12H2,1H3,(H,18,20)
InChIKeyUPXRYNHLTWGVAC-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
N-(2-azidoethyl)-3-methylpyridine-2-carboxamide
CID 55210380
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
4-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methoxybenzamide
CID 91795547
N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide
CID 163545247

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide (CID 91773288) is N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCCC12CCCN1CCC2.
What is the InChIKey of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide?
The InChIKey is UPXRYNHLTWGVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-5-2-9-17-14(13)15(20)18-10-8-16-6-3-11-19(16)12-4-7-16/h2,5,9H,3-4,6-8,10-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide?
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 91773288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).